ChemicalBook--->CAS DataBase List--->885-70-1

885-70-1

885-70-1 Structure

885-70-1 Structure
IdentificationBack Directory
[Name]

5H-BENZO[E]PYRIDO[3,2-B][1,4]DIAZEPIN-6(11H)-ONE
[CAS]

885-70-1
[Synonyms]

LS 75
Pirenzepine EP Impurity B
11H-Pyrido[2,3-b][1,4]benzodiazepine-6(5H)-one
5H-BENZO[E]PYRIDO[3,2-B][1,4]DIAZEPIN-6(11H)-ONE
5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
1,5-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 1,5-dihydro-
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,5,11-dihydro-
5,6-Dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine
5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one AK-36728
[EINECS(EC#)]

212-944-2
[Molecular Formula]

C12H9N3O
[MDL Number]

MFCD00190169
[MOL File]

885-70-1.mol
[Molecular Weight]

211.22
Chemical PropertiesBack Directory
[Melting point ]

292-293℃
[Boiling point ]

336℃
[density ]

1.275
[Fp ]

157℃
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

11.58±0.20(Predicted)
[color ]

Light Beige to Beige
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Amino-N-(2-chloropyridin-3-yl)benzamide-->Methyl anthranilate-->tert-Butanol-->Sulfuric acid
[Preparation Products]

5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-thione
Hazard InformationBack Directory
[Chemical Properties]

Light yellow crystals. Melting point 283-285℃ (286-288℃).
[Uses]

5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, can be used in the synthesis of fluorescent pirenzepine derivatives, used as potential bitopic ligands of the Human M1 Muscarinic receptor.
[Synthesis]

Synthesis_885-70-1
In a 1000 ml reaction flask,Add 600 ml of butanol,100 g of 2-amino-N- (2-chloropyridyl-3-yl) benzamide,2 ml of concentrated sulfuric acid,The reaction was refluxed for 3 hours at a reaction temperature of 80 ?? C,Cooled to room temperature,filter,Washed with acetone,50-60 ?? C in vacuo to give 98 g of a pale yellow solid product,Yield 98percent, purity 99percent.
[References]

[1] Patent: CN106432227, 2017, A. Location in patent: Paragraph 0019; 0020
[2] Journal of Medicinal Chemistry, 2004, vol. 47, # 17, p. 4300 - 4315
[3] Journal of Medicinal Chemistry, 1993, vol. 36, # 15, p. 2107 - 2114
[4] Collection of Czechoslovak Chemical Communications, 1988, vol. 53, # 8, p. 1820 - 1844
[5] Patent: WO2006/8118, 2006, A1. Location in patent: Page/Page column 20
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